SCHEMBL30009641

SCHEMBL30009641

CC1CCCCN1OC(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
FKBP1A P62942 1/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX2 P34913 1/20 0.33
DPP4 P27487 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6558731 0.80 SMN1; SMN2 (0.34) SMN1; SMN2LMNAFKBP1AALDH1A1L3MBTL1
SCHEMBL28849318 0.80 HPGD (0.37) GAAHPGDALDH1A1EPHX2MEN1
SCHEMBL24453925 0.79 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1DPP4MEN1
SCHEMBL489632 0.76 GAA (0.39) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL6560018 0.75 SMN1; SMN2 (0.35) SMN1; SMN2LMNADPP4MEN1KMT2A
SCHEMBL28780419 0.75 POLB (0.33) GAAHPGDRECQL
SCHEMBL6559583 0.73 SMN1; SMN2 (0.40) SMN1; SMN2LMNAGAAALDH1A1MEN1
SCHEMBL6559617 0.72 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL13873135 0.71 ALDH1A1 (0.53) AKR1C3SMN1; SMN2LMNAGAAHPGD
SCHEMBL4630563 0.71 HPGD (0.38) SMN1; SMN2LMNAGAAHPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022237813-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 盛世泰科生物医药技术(苏州)有限公司 2022-11-17 WO disclosed